| SpectraBase Compound ID | 543q09GllPv |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3 |
| InChIKey | COYLCBQWRSRLMJ-UHFFFAOYSA-N |
| Mol Weight | 399.33 g/mol |
| Molecular Formula | C19H27BrO4 |
| Exact Mass | 398.109272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BwI29r76rt |
|---|---|
| Name | Diethylmalonic acid, 3-bromobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.109272345 u |
| Formula | C19H27BrO4 |
| InChI | InChI=1S/C19H27BrO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3 |
| InChIKey | COYLCBQWRSRLMJ-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(C(OCC1=CC(=CC=C1)Br)=O)CC)C |